Crystallography Open Database

Information card for entry 4087973

Preview

Coordinates	4087973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H108 Fe2 P4
Calculated formula	C103 H108 Fe2 P4
Title of publication	2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes
Authors of publication	Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	22
Pages of publication	5418
a	20.69 ± 0.002 Å
b	20.374 ± 0.002 Å
c	40.538 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	17088 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1688
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237165 (current)	2019-11-24	cif/ Adding structures of 4087973, 4087974, 4087975 via cif-deposit CGI script.	4087973.cif